(2R)-N-(2,5-dimethylphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide

C13H18N2OS — CID 35526946

IUPAC(2R)-N-(2,5-dimethylphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCS[C@@H]2C)c1
InChIInChI=1S/C13H18N2OS/c1-9-4-5-10(2)12(8-9)14-13(16)15-6-7-17-11(15)3/h4-5,8,11H,6-7H2,1-3H3,(H,14,16)/t11-/m1/s1
InChIKeyOSNRLJYTVYTAEN-LLVKDONJSA-N
MW250.37 g/mol
LogP3.23
Rot. Bonds1

About (2R)-N-(2,5-dimethylphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide

(2R)-N-(2,5-dimethylphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide (PubChem CID 35526946) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethylphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethylphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide
PubChem CID35526946
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name(2R)-N-(2,5-dimethylphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCS[C@@H]2C)c1
InChIInChI=1S/C13H18N2OS/c1-9-4-5-10(2)12(8-9)14-13(16)15-6-7-17-11(15)3/h4-5,8,11H,6-7H2,1-3H3,(H,14,16)/t11-/m1/s1
InChIKeyOSNRLJYTVYTAEN-LLVKDONJSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 35526941
(2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331516
(4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331515
(2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025231
(1S)-N-(2,5-dimethylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92712035
(2S)-N-(4-methoxyphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide
CID 7423405
2-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 4619225
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5068195
(2R)-N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025765
(4aS,8aR)-N-(2,5-dimethylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51943981
N-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide
CID 92731340
N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895990

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide (CID 35526946) is (2R)-N-(2,5-dimethylphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2R)-N-(2,5-dimethylphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2R)-N-(2,5-dimethylphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide is Cc1ccc(C)c(NC(=O)N2CCS[C@@H]2C)c1.
What is the InChIKey of (2R)-N-(2,5-dimethylphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide?
The InChIKey is OSNRLJYTVYTAEN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9-4-5-10(2)12(8-9)14-13(16)15-6-7-17-11(15)3/h4-5,8,11H,6-7H2,1-3H3,(H,14,16)/t11-/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethylphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide?
(2R)-N-(2,5-dimethylphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dimethylphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 35526946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).